N-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[4-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[4-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[4-[4-(4-bromobenzoyl)piperazin-1-yl]phenyl]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[4-[4-(4-bromobenzoyl)piperazino]phenyl]-2-(8-quinolylthio)acetamide Formula: C28H25BrN4O2S MolecularWeight: 561.4927

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)CSC3=CC=CC4=C3N=CC=C4)C(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C28H25BrN4O2S/c29-22-8-6-21(7-9-22)28(35)33-17-15-32(16-18-33)24-12-10-23(11-13-24)31-26(34)19-36-25-5-1-3-20-4-2-14-30-27(20)25/h1-14H,15-19H2,(H,31,34)